General Information of the Compound
| Compound ID |
CP0374399
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| Compound Name |
2-(cyclopropylamino)-7-(2-methoxybenzyl)-9-(2-methoxyphenyl)-7H-purin-8(9H)-one
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| Structure |
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| Formula |
C23H23N5O3
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| Molecular Weight |
417.469
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| Canonical SMILES |
COc1ccccc1Cn1c2cnc(NC3CC3)nc2n(-c2ccccc2OC)c1=O
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| InChI |
InChI=1S/C23H23N5O3/c1-30-19-9-5-3-7-15(19)14-27-18-13-24-22(25-16-11-12-16)26-21(18)28(23(27)29)17-8-4-6-10-20(17)31-2/h3-10,13,16H,11-12,14H2,1-2H3,(H,24,25,26)
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| InChIKey |
PHUGVOFIFNJFOY-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound